SCHEMBL21996480

SCHEMBL21996480

COC1(OC)CN(C(=O)OC(C)(C)C)C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NR1H2 P55055 1/20 0.33
EPHX2 P34913 1/20 0.32
HPGD P15428 1/20 0.32
BTK Q06187 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27207278 0.80 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL27203890 0.80 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL22320894 0.79 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL35211488 0.79 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL21996489 0.76 NR1H2 (0.41) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL22047153 0.76 NR1H2 (0.41) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL29149056 0.76 HSD17B10 (0.41) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL883020 0.76 HSD17B10 (0.38) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL29148977 0.76 HSD17B10 (0.41) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL21996584 0.76 ELANE (0.43) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12194023-B2 Compositions and methods for modular control of bioorthogonal ligation THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-01-14 US disclosed
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 US disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 WO disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 HSD17B10 2415/4885CHRM2 237/4885CHRM1 260/4885
US-12194023-B2 Compositions and methods for modular control of bioorthogonal ligation CBR3, C1R, CBR1 HSD17B10 2415/4885CHRM2 237/4885CHRM1 260/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.